(4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C30H32N4O5S2 — CID 146729633

About (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 146729633) has the molecular formula C30H32N4O5S2 and a molecular weight of 592.74 g/mol. Its IUPAC name is (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 146729633
• Molecular Formula: C30H32N4O5S2
• Molecular Weight: 592.74 g/mol
• Exact Mass: 592.18
• IUPAC Name: (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(c2)OCC[C@H]3N2CCc3ccccc3[C@H]2C)c(OC)c1
• InChI: InChI=1S/C30H32N4O5S2/c1-20-25-7-5-4-6-21(25)12-14-33(20)27-13-15-39-29-17-24(10-11-26(27)29)41(35,36)34(30-31-19-32-40-30)18-22-8-9-23(37-2)16-28(22)38-3/h4-11,16-17,19-20,27H,12-15,18H2,1-3H3/t20-,27-/m1/s1
• InChIKey: RHEDYBJCJPDZQB-NFQMXDRXSA-N
• XLogP: 5.39
• TPSA: 94.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.74
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 146729633) is (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(c2)OCC[C@H]3N2CCc3ccccc3[C@H]2C)c(OC)c1.

What is the InChIKey of (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is RHEDYBJCJPDZQB-NFQMXDRXSA-N. The full InChI is InChI=1S/C30H32N4O5S2/c1-20-25-7-5-4-6-21(25)12-14-33(20)27-13-15-39-29-17-24(10-11-26(27)29)41(35,36)34(30-31-19-32-40-30)18-22-8-9-23(37-2)16-28(22)38-3/h4-11,16-17,19-20,27H,12-15,18H2,1-3H3/t20-,27-/m1/s1.

What are the key properties of (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

(4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 592.74 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 146729633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).